N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenyl-propanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenyl-propanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-(1,2-dimethylhexahydropyridazin-4-yl)-N-phenyl-propanamide CAS Name: N-(1,2-dimethyl-4-diazinanyl)-N-phenylpropanamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-(1,2-dimethyldiazinan-4-yl)-N-phenylpropanamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-(1,2-dimethylhexahydropyridazin-4-yl)-N-phenyl-propionamide Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(N(C1)C)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1CCN(N(C1)C)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O.C6H8O7/c1-4-15(19)18(13-8-6-5-7-9-13)14-10-11-16(2)17(3)12-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,14H,4,10-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)